General Information of the Compound
| Compound ID |
CP0056596
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| Compound Name |
5-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C25H22N6O3S
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| Molecular Weight |
486.557
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| Canonical SMILES |
CCOc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(OC)cc2)nnc1-c1ccncc1
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| InChI |
InChI=1S/C25H22N6O3S/c1-3-33-21-10-6-19(7-11-21)31-24(18-12-14-26-15-13-18)28-29-25(31)35-16-22-27-23(30-34-22)17-4-8-20(32-2)9-5-17/h4-15H,3,16H2,1-2H3
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| InChIKey |
NBISXOSUCKEWEA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound